Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)N1CCNCC1C1=NC2=CC=CC=C2N1
InChIKey
InChIKey=CJDDZQXHOQEYGC-UHFFFAOYSA-N
Formula
C18H17FN4O
Mass
324.359
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzimidazoles Benzoyl derivatives Aralkylamines Fluorobenzenes Aryl fluorides Piperazines Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Amino acids and derivatives Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Organofluorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperazine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Imidazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available